2,5-dibromopyridin-3-amine

• ChemBase ID: 23785
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: c1(cnc(c(c1)N)Br)Br
• Canonical SMILES: Brc1cnc(c(c1)N)Br
• InChI: InChI=1S/C5H4Br2N2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
• InChIKey: VHGBUYMPBFPXQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromopyridin-3-amine
• IUPAC Traditional name: 2,5-dibromopyridin-3-amine
• Synonyms: 2,5-Dibromo-pyridin-3-ylamine; 2,5-Dibromo-pyridin-3-ylamine; 2,5-dibromopyridin-3-amine

Database IDs

• CAS Number: 90902-84-4
• MDL Number: MFCD09266224
• PubChem SID: 160987092
• PubChem CID: 19387532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6696725
• LogD (pH = 7.4): 1.6696746
• Log P: 1.6696748
• Molar Refractivity: 44.6893 cm^3
• Polarizability: 16.660921 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 2.26

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C5H4Br2N2

DETAILS

Sigma Aldrich - ADE000414

Other Notes
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